Compound Detail
CHEMBL3885058
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Basic Information
| ChEMBL ID | CHEMBL3885058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWWYAQWZOZFSBN-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
2.16
ALogP
4
HBA
1
HBD
71.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.41 | 4.24 | 39210.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 39210.0 | nM | 4.41 | Antioxidant activity assessed as ABTS radical scavenging activity by spectrophot... | 27592396 |
| No relevant target | IC50 | = | 65550.0 | nM | 4.18 | Antioxidant activity assessed as inhibition of beta carotene/ linoleic acid pero... | 27592396 |
| No relevant target | IC50 | = | 74830.0 | nM | 4.13 | Antioxidant activity assessed as DPPH free radical scavenging activity after 2 h... | 27592396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27592396 | 10.1016/j.ejmech.2016.08.037 | No relevant target | 4 |
| 27592396 | 10.1016/j.ejmech.2016.08.037 | NON-PROTEIN TARGET | 2 |
| 27592396 | 10.1016/j.ejmech.2016.08.037 | Acetylcholinesterase | 1 |
| 27592396 | 10.1016/j.ejmech.2016.08.037 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine